4,5-dichloro-2-n-octyl-3-isothiazolone (CAS 64359-81-5) — formula C11H17Cl2NOS, molecular weight 282.2; category organic chemicals.
4,5-dichloro-2-n-octyl-3-isothiazolone is a carbon-based organic compound with CAS registry number 64359-81-5 and molecular formula C11H17Cl2NOS (molecular weight 282.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 64359-81-5
Its molecular formula C11H17Cl2NOS comprises 11 C, 17 H, 2 Cl, 1 N, 1 O, 1 S atoms.
Also known as: 4,5-dichloro-2-n-octyl-3-isothiazolone
Category: organic chemicals
The CAS registry number of 4,5-dichloro-2-n-octyl-3-isothiazolone is 64359-81-5.
Molecular formula C11H17Cl2NOS, molecular weight 282.2.
It is also registered under: 4,5-dichloro-2-n-octyl-3-isothiazolone.
Category: Organic Chemicals.
Public-database records for 4,5-dichloro-2-n-octyl-3-isothiazolone (CAS 64359-81-5), reproduced here for independent cross-checking.
| GHS notification summary | 1.3% (5 / 373) |
|---|---|
| Reported hazard statements | H302, H314, H317, H318, H330, H400, H410, H312 (10.2%) |
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS As a preservative and slimicide in the manufacture of paper and paperboard intended to contact aqueous and fat |
|---|---|
| GHS notification summary | 1.3% (5 / 373) |
| 熔点 | 40-46 °C |
|---|---|
| 溶解度 | In water, 14 ppm at 25 °C |
| 蒸气压 | 7.4X10-6 mm Hg at 25 °C |
| LogP | 4.9 |
| CAS Registry Number | 64359-81-5 |
|---|---|
| PubChem CID | 91688 |
| 分子式 | C11H17Cl2NOS |
| IUPAC 名称 | 4,5-dichloro-2-octyl-1,2-thiazol-3-one |
| UNII（FDA） | HCY9Q844W2 |
64359-81-5; Kathon 930; dcoit; 4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one; 4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone; Sea-Nine 211; Anti-Foulant C-9211M; 3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-; SEA-NINE; Sea Nine 211; 4,5-dichloro-2-octyl-3-isothiazolone; HCY9Q844W2; CHEBI:83518; C-9211; RH-5287; RefChem:507671
| 分子量 | 282.2 |
|---|---|
| XLogP3 | 5.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 7 |
| 精确质量 | 281.0407907 |
| 单同位素质量 | 281.0407907 |
| 拓扑极性表面积 | 45.6 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
4,5-Dichloro-N-octyl-3(2H)-isothiazolone · CAS 64359-81-5 · C11H17Cl2NOS. UNII HCY9Q844W2. 熔点: 40-46 °C; 溶解度: In water, 14 ppm at 25 °C; 蒸气压: 7.4X10-6 mm Hg at 25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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